N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide

C13H15NO4S — CID 7510148

IUPACN-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C13H15NO4S/c1-14(10-12-4-3-9-18-12)19(15,16)13-7-5-11(17-2)6-8-13/h3-9H,10H2,1-2H3
InChIKeyGXFNCLRHYQTBBT-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.11
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide

N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 7510148) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
PubChem CID7510148
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC NameN-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C13H15NO4S/c1-14(10-12-4-3-9-18-12)19(15,16)13-7-5-11(17-2)6-8-13/h3-9H,10H2,1-2H3
InChIKeyGXFNCLRHYQTBBT-UHFFFAOYSA-N
XLogP2.11
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3820660
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 51169518
N-(furan-2-ylmethyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237525
4-(cyanomethyl)-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 79185156
3-amino-4-ethyl-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526678
N-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 100588449
3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 63322045
6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 115602451
methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate
CID 100686080
methyl 5-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoate
CID 95970862

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide (CID 7510148) is N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is GXFNCLRHYQTBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-14(10-12-4-3-9-18-12)19(15,16)13-7-5-11(17-2)6-8-13/h3-9H,10H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide?
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 281.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 7510148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).